methyl 4-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(2,6-diethylanilino)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-(2,6-diethylanilino)-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(2,6-diethylanilino)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-(2,6-diethylanilino)-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6/c1-4-13-7-6-8-14(5-2)19(13)21-18(23)12-28-17-10-9-15(20(24)27-3)11-16(17)22(25)26/h6-11H,4-5,12H2,1-3H3,(H,21,23)